"Fine-grained parallelization of the Car - Parrinello ab initio molecular ..."

Eric J. Bohm et al. (2008)

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DOI: 10.1147/RD.521.0159

access: closed

type: Journal Article

metadata version: 2020-03-13

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Eric J. Bohm, Abhinav Bhatele, Laxmikant V. Kalé, Mark E. Tuckerman, Sameer Kumar, John A. Gunnels, Glenn J. Martyna:
Fine-grained parallelization of the Car - Parrinello ab initio molecular dynamics method on the IBM Blue Gene/L supercomputer. IBM J. Res. Dev. 52(1-2): 159-176 (2008)

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